(2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide

C19H27NO3 — CID 11162911

IUPAC(2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide
SMILESCC[C@H]1O[C@@H](C(=O)N(C)C)C/C=C\C[C@H]1OCc1ccccc1
InChIInChI=1S/C19H27NO3/c1-4-16-17(22-14-15-10-6-5-7-11-15)12-8-9-13-18(23-16)19(21)20(2)3/h5-11,16-18H,4,12-14H2,1-3H3/b9-8-/t16-,17-,18-/m1/s1
InChIKeyYURONHPYJQNSCN-RVLODESQSA-N
MW317.43 g/mol
LogP3.17
Rot. Bonds5

About (2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide

(2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide (PubChem CID 11162911) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide.

Molecular Properties

Compound Name(2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide
PubChem CID11162911
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide
SMILESCC[C@H]1O[C@@H](C(=O)N(C)C)C/C=C\C[C@H]1OCc1ccccc1
InChIInChI=1S/C19H27NO3/c1-4-16-17(22-14-15-10-6-5-7-11-15)12-8-9-13-18(23-16)19(21)20(2)3/h5-11,16-18H,4,12-14H2,1-3H3/b9-8-/t16-,17-,18-/m1/s1
InChIKeyYURONHPYJQNSCN-RVLODESQSA-N
XLogP3.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide with MolForge

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Related Compounds

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CID 10879038
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Sch 1205
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4-Butyl-2-phenylmorpholin-3-one
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2-(Benzyloxy)-N-methoxy-N-methylacetamide
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(2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide
CID 14288126
(2R,3S)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one
CID 11347415
2-Benzyloxy-N,N-dimethyl-acetamide
CID 11745503
N,N-dimethyl-3-phenyloxirane-2-carboxamide
CID 14288125
(2R,3R)-3-chloro-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one
CID 15500414
(s)-2-(benzyloxy)-N-methoxy-N-methylpropanamide
CID 95356922
N-[2-(dimethylamino)ethyl]-2-phenylmethoxypropanamide
CID 47029692

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide?
The IUPAC name of (2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide (CID 11162911) is (2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide.
What is the SMILES notation for (2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide?
The canonical SMILES for (2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide is CC[C@H]1O[C@@H](C(=O)N(C)C)C/C=C\C[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide?
The InChIKey is YURONHPYJQNSCN-RVLODESQSA-N. The full InChI is InChI=1S/C19H27NO3/c1-4-16-17(22-14-15-10-6-5-7-11-15)12-8-9-13-18(23-16)19(21)20(2)3/h5-11,16-18H,4,12-14H2,1-3H3/b9-8-/t16-,17-,18-/m1/s1.
What are the key properties of (2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide?
(2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide is sourced from PubChem (CID 11162911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).